SCHEMBL2415600

SCHEMBL2415600

CC=Cc1cccc(N)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2415596 1.00 CYP3A4 (0.33) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2417706 1.00 CYP3A4 (0.33) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL31255957 0.81 TSHR (0.39) CYP1A2CYP2C19TSHRALDH1A1MAPT
SCHEMBL7772319 0.79 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL15550778 0.77 PTPN1 (0.34) PRKACAPRKACGPRKACBKDM1A
SCHEMBL2416043 0.77 NPC1 (0.34) ALDH1A1KDM4ELMNAHPGD
SCHEMBL2416039 0.77 NPC1 (0.34) ALDH1A1KDM4ELMNAHPGD
SCHEMBL2418536 0.77 ALDH1A1 (0.34) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2416476 0.76 ABCG2 (0.33) CYP3A4TSHRPIK3CAALDH1A1MAPT
SCHEMBL21462333 0.76 CA1 (0.46) MAPTKDM4ELMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 — — US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 — — US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 — — US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 — — EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 — — EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP3A4 3308/4885CYP1A2 4533/4885CYP2C9 4695/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP3A4 3308/4885CYP1A2 4533/4885CYP2C9 4695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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